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CHEBI:182592 - (9b-hydroxy-6,6,9a-trimethyl-3-oxo-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-9-yl) 2-acetamido-3-methylbutanoate

ChEBI IDCHEBI:182592
ChEBI Name(9b-hydroxy-6,6,9a-trimethyl-3-oxo-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-9-yl) 2-acetamido-3-methylbutanoate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H33NO6
Net Charge0
Average Mass407.507
Monoisotopic Mass407.23079
SMILESCC(=O)NC(C(=O)OC1CCC(C)(C)C2CC=C3C(=O)OCC3(O)C12C)C(C)C
InChIInChI=1S/C22H33NO6/c1-12(2)17(23-13(3)24)19(26)29-16-9-10-20(4,5)15-8-7-14-18(25)28-11-22(14,27)21(15,16)6/h7,12,15-17,27H,8-11H2,1-6H3,(H,23,24)
InChIKeyDFGYGTWTXGTQIC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
(9b-hydroxy-6,6,9a-trimethyl-3-oxo-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-9-yl) 2-acetamido-3-methylbutanoate (CHEBI:182592) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(9b-hydroxy-6,6,9a-trimethyl-3-oxo-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzouran-9-yl) 2-acetamido-3-methylbutanoate
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22943272ChemSpider